34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine

C63H43N3O2 — CID 134561214

IUPAC34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine
SMILESCC1(C)c2cc3c4c5c(oc6ccccc65)c(N(c5ccccc5)c5ccccc5)cc4n(-c4ccccc4)c3cc2-c2c1cc(N(c1ccccc1)c1ccccc1)c1oc3ccccc3c21
InChIInChI=1S/C63H43N3O2/c1-63(2)49-36-48-51(37-47(49)57-50(63)38-53(61-59(57)45-32-18-20-34-55(45)67-61)64(40-22-8-3-9-23-40)41-24-10-4-11-25-41)66(44-30-16-7-17-31-44)52-39-54(62-60(58(48)52)46-33-19-21-35-56(46)68-62)65(42-26-12-5-13-27-42)43-28-14-6-15-29-43/h3-39H,1-2H3
InChIKeyZHMSECXPKLALCG-UHFFFAOYSA-N
MW874.06 g/mol
LogP17.83
Rot. Bonds7

About 34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine

34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine (PubChem CID 134561214) has the molecular formula C63H43N3O2 and a molecular weight of 874.06 g/mol. Its IUPAC name is 34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine.

Molecular Properties

Compound Name34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine
PubChem CID134561214
Molecular FormulaC63H43N3O2
Molecular Weight874.06 g/mol
Exact Mass873.34
IUPAC Name34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine
SMILESCC1(C)c2cc3c4c5c(oc6ccccc65)c(N(c5ccccc5)c5ccccc5)cc4n(-c4ccccc4)c3cc2-c2c1cc(N(c1ccccc1)c1ccccc1)c1oc3ccccc3c21
InChIInChI=1S/C63H43N3O2/c1-63(2)49-36-48-51(37-47(49)57-50(63)38-53(61-59(57)45-32-18-20-34-55(45)67-61)64(40-22-8-3-9-23-40)41-24-10-4-11-25-41)66(44-30-16-7-17-31-44)52-39-54(62-60(58(48)52)46-33-19-21-35-56(46)68-62)65(42-26-12-5-13-27-42)43-28-14-6-15-29-43/h3-39H,1-2H3
InChIKeyZHMSECXPKLALCG-UHFFFAOYSA-N
XLogP17.83
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.06
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine with MolForge

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Related Compounds

14,31-dibromo-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene;17,17,34,34-tetramethyl-14-N,14-N,31-N,31-N-tetraphenyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine
CID 158247640
3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetraphenyl-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,9,11,13,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine
CID 134561487
17,17,34,34-tetramethyl-14-N,14-N,31-N,31-N-tetrakis(4-naphthalen-1-ylphenyl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine
CID 134561243
3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetrakis(4-naphthalen-1-ylphenyl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,9,11,13,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine
CID 134561240
14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
CID 146190290
N-[14,14-dimethyl-11-(9-phenylcarbazol-3-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-18,18,21,21-tetramethyl-N-phenyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 165378118
6-N,6-N,31-N,31-N-tetrakis(4-tert-butylphenyl)-3,3,34,34-tetramethyl-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,9,11,13,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine;3,3,34,34-tetramethyl-6-N,31-N-bis(2-methylphenyl)-6-N,31-N-diphenyl-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,9,11,13,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine;17,17,34,34-tetramethyl-14-N,14-N,31-N,31-N-tetrakis(2-methylphenyl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine;17,17,34,34-tetramethyl-14-N,14-N,31-N,31-N-tetraphenyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine
CID 157176243
17,17,34,34-tetramethyl-14-N,31-N-diphenyl-14-N,31-N-bis(2-phenylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
CID 134561249
N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine
CID 163432599
14,14-dimethyl-11-N,11-N-diphenyl-17-N-(2-phenylphenyl)-17-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
CID 164801342
14,14-dimethyl-11-N,11-N-diphenyl-17-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-17-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
CID 146432039
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-diphenyl-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 137385905

Frequently Asked Questions

What is the IUPAC name of 34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine?
The IUPAC name of 34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine (CID 134561214) is 34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine.
What is the SMILES notation for 34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine?
The canonical SMILES for 34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine is CC1(C)c2cc3c4c5c(oc6ccccc65)c(N(c5ccccc5)c5ccccc5)cc4n(-c4ccccc4)c3cc2-c2c1cc(N(c1ccccc1)c1ccccc1)c1oc3ccccc3c21.
What is the InChIKey of 34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine?
The InChIKey is ZHMSECXPKLALCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3O2/c1-63(2)49-36-48-51(37-47(49)57-50(63)38-53(61-59(57)45-32-18-20-34-55(45)67-61)64(40-22-8-3-9-23-40)41-24-10-4-11-25-41)66(44-30-16-7-17-31-44)52-39-54(62-60(58(48)52)46-33-19-21-35-56(46)68-62)65(42-26-12-5-13-27-42)43-28-14-6-15-29-43/h3-39H,1-2H3.
What are the key properties of 34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine?
34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine has a molecular weight of 874.06 g/mol, XLogP of 17.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 34,34-dimethyl-14-N,14-N,31-N,31-N,17-pentakis-phenyl-12,29-dioxa-17-azanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine is sourced from PubChem (CID 134561214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).